SCHEMBL1016044

SCHEMBL1016044

OCC1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.49
AADAT Q8N5Z0 1/20 0.40
MCHR1 Q99705 2/20 0.38
TDP2 O95551 1/20 0.38
NAMPT P43490 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CTSD P07339 1/20 0.36
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30233671 0.87 PNMT (0.41) PNMTAADATNAMPTHTR2AHTR2C
SCHEMBL25026112 0.87 PNMT (0.41) PNMTAADATNAMPTHTR2AHTR2C
SCHEMBL8000022 0.82 ALDH1A1 (0.38)
SCHEMBL25025870 0.79 PNMT (0.53) PNMTAADATTDP2HTR2AHTR2C
SCHEMBL6754969 0.78 HDAC8 (0.41) PNMTAADATHTR2AHTR2CHTR2B
SCHEMBL6754972 0.78 HDAC8 (0.41) PNMTAADATHTR2AHTR2CHTR2B
SCHEMBL6959841 0.76 SLC6A4 (0.50) PNMTMCHR1HTR2AHTR2CHTR2B
SCHEMBL19816882 0.76 PNMT (0.53) PNMTAADATTDP2CTSD
SCHEMBL20651228 0.76 PNMT (0.53) PNMTAADATTDP2HTR2AHTR2C
Hydrochloric Acid SCHEMBL29991812 0.74 PNMT (0.51) PNMTAADATTDP2CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089368-B1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-2089368-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-19 EP disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
WO-2008065021-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol GPR119, GIPR, EBP PNMT 128/4885AADAT 84/4885MCHR1 437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.